Calcium in PDB 6prm: Crystal Structure of Apo PSS1_19B

The structure of Crystal Structure of Apo PSS1_19B, PDB code: 6prm was solved by A.G.Hettle, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.510, 88.580, 106.600, 82.22, 79.85, 84.20
R / Rfree (%)	23.8 / 27.3

The binding sites of Calcium atom in the Crystal Structure of Apo PSS1_19B (pdb code 6prm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Apo PSS1_19B, PDB code: 6prm:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Apo PSS1_19B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Apo PSS1_19B within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:36.2 occ:1.00 OD1 A:ASP37 2.1 41.4 1.0 OD2 A:ASP290 2.2 25.8 1.0 OD1 A:ASP38 2.5 43.2 1.0 OD1 A:ASN291 2.5 35.4 1.0 SG A:CYS77 2.5 42.6 1.0 OD1 A:ASP290 2.6 24.5 1.0 CG A:ASP290 2.7 25.7 1.0 CG A:ASP37 3.2 39.6 1.0 CG A:ASP38 3.5 39.5 1.0 CG A:ASN291 3.5 30.2 1.0 CB A:CYS77 3.5 35.8 1.0 CA A:CYS77 3.7 32.9 1.0 N A:ASP38 3.7 35.0 1.0 ND2 A:ASN291 3.8 25.1 1.0 OD2 A:ASP37 3.9 42.5 1.0 NZ A:LYS140 4.1 46.5 1.0 OD2 A:ASP38 4.1 38.9 1.0 N A:CYS77 4.1 33.3 1.0 CB A:ASP290 4.2 24.9 1.0 CD2 A:HIS233 4.2 35.2 1.0 CA A:ASP37 4.2 32.6 1.0 CE A:LYS309 4.3 28.7 1.0 CB A:ASP37 4.3 37.3 1.0 NZ A:LYS309 4.3 30.8 1.0 C A:ASP37 4.4 34.1 1.0 CA A:ASP38 4.4 36.6 1.0 CB A:ASP38 4.4 39.4 1.0 NH2 A:ARG81 4.5 32.7 1.0 N A:ASN291 4.8 25.4 1.0 CB A:ASN291 4.8 29.8 1.0 NE A:ARG81 4.9 31.3 1.0 NE2 A:HIS233 4.9 33.8 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Apo PSS1_19B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Apo PSS1_19B within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:35.5 occ:1.00 OD1 B:ASP37 2.1 33.0 1.0 OD2 B:ASP290 2.3 29.6 1.0 OD1 B:ASP38 2.4 31.0 1.0 OD1 B:ASN291 2.5 24.9 1.0 OD1 B:ASP290 2.6 29.8 1.0 SG B:CYS77 2.6 36.5 1.0 CG B:ASP290 2.7 29.0 1.0 CG B:ASP37 3.3 31.4 1.0 CG B:ASN291 3.4 26.6 1.0 CG B:ASP38 3.4 33.5 1.0 CB B:CYS77 3.6 30.9 1.0 N B:ASP38 3.7 33.5 1.0 ND2 B:ASN291 3.7 26.6 1.0 CA B:CYS77 3.8 29.3 1.0 OD2 B:ASP37 4.0 36.9 1.0 OD2 B:ASP38 4.1 33.6 1.0 N B:CYS77 4.1 25.8 1.0 NZ B:LYS140 4.2 48.6 1.0 CB B:ASP290 4.2 27.9 1.0 CE B:LYS309 4.2 24.1 1.0 CA B:ASP37 4.2 30.7 1.0 CD2 B:HIS233 4.3 29.0 1.0 NZ B:LYS309 4.3 25.3 1.0 CB B:ASP37 4.3 31.0 1.0 CA B:ASP38 4.3 31.2 1.0 C B:ASP37 4.3 31.3 1.0 CB B:ASP38 4.4 31.6 1.0 NH2 B:ARG81 4.5 29.7 1.0 N B:ASN291 4.7 25.0 1.0 CB B:ASN291 4.7 25.5 1.0 C B:ASP290 5.0 25.3 1.0 NE B:ARG81 5.0 30.5 1.0 NE2 B:HIS233 5.0 27.9 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Apo PSS1_19B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Apo PSS1_19B within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca501 b:44.2 occ:1.00 OD1 C:ASP37 2.0 38.0 1.0 OD2 C:ASP290 2.3 29.7 1.0 OD1 C:ASP38 2.4 28.2 1.0 OD1 C:ASP290 2.6 21.3 1.0 OD1 C:ASN291 2.6 36.3 1.0 SG C:CYS77 2.7 45.1 1.0 CG C:ASP290 2.7 24.1 1.0 CG C:ASP37 3.2 36.7 1.0 CG C:ASP38 3.4 28.7 1.0 CG C:ASN291 3.5 30.7 1.0 N C:ASP38 3.6 28.9 1.0 CB C:CYS77 3.7 37.6 1.0 ND2 C:ASN291 3.8 31.3 1.0 OD2 C:ASP37 3.9 43.0 1.0 CA C:CYS77 3.9 35.5 1.0 OD2 C:ASP38 4.0 31.6 1.0 NZ C:LYS140 4.1 38.1 1.0 CA C:ASP37 4.1 31.4 1.0 CD2 C:HIS233 4.2 33.4 1.0 CB C:ASP37 4.2 33.9 1.0 CB C:ASP290 4.2 24.4 1.0 C C:ASP37 4.2 32.8 1.0 CA C:ASP38 4.3 29.3 1.0 CB C:ASP38 4.3 28.7 1.0 CE C:LYS309 4.3 22.0 1.0 N C:CYS77 4.3 34.0 1.0 NZ C:LYS309 4.4 20.2 1.0 NH2 C:ARG81 4.4 31.0 1.0 N C:ASN291 4.8 25.0 1.0 CB C:ASN291 4.9 27.5 1.0 NE2 C:HIS233 4.9 38.1 1.0 NE C:ARG81 5.0 28.1 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Apo PSS1_19B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Apo PSS1_19B within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca501 b:32.9 occ:1.00 OD1 D:ASP37 2.0 38.1 1.0 OD2 D:ASP290 2.2 29.1 1.0 OD1 D:ASP38 2.4 22.2 1.0 OD1 D:ASP290 2.5 36.3 1.0 OD1 D:ASN291 2.5 22.3 1.0 CG D:ASP290 2.6 31.6 1.0 SG D:CYS77 2.8 30.6 1.0 CG D:ASP37 3.2 38.1 1.0 CG D:ASP38 3.4 23.9 1.0 CG D:ASN291 3.5 21.2 1.0 N D:ASP38 3.5 27.1 1.0 CB D:CYS77 3.7 30.3 1.0 ND2 D:ASN291 3.8 18.9 1.0 CA D:CYS77 3.9 30.4 1.0 OD2 D:ASP37 3.9 40.2 1.0 CA D:ASP37 4.1 33.6 1.0 OD2 D:ASP38 4.1 24.6 1.0 CB D:ASP290 4.1 29.3 1.0 C D:ASP37 4.2 29.6 1.0 CB D:ASP37 4.2 34.3 1.0 NZ D:LYS140 4.2 57.3 1.0 CA D:ASP38 4.2 27.6 1.0 N D:CYS77 4.3 30.0 1.0 CD2 D:HIS233 4.3 29.4 1.0 CB D:ASP38 4.3 25.7 1.0 CE D:LYS309 4.4 17.2 1.0 NZ D:LYS309 4.4 17.7 1.0 NH2 D:ARG81 4.4 29.7 1.0 N D:ASN291 4.7 27.7 1.0 CB D:ASN291 4.8 22.5 1.0 C D:ASP290 4.9 30.1 1.0 CA D:ASP290 5.0 30.5 1.0 NE D:ARG81 5.0 35.3 1.0

A.G.Hettle, J.K.Hobbs, B.Pluvinage, C.Vickers, K.Abe, O.Salama-Alber, B.Mcguire, J.H.Hehemann, J.P.M.Hui, F.Berrue, A.Banskota, J.Zhang, E.Bottos, J.Van Hamme, A.B.Boraston. The Carrageenan Metabolism Pathway of Marine Pseudoalteromonas Species To Be Published.